3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

C12H10F2N2S — CID 2800014

IUPAC3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C2=CSC3=NCCCN23)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12/h2-3,6-7H,1,4-5H2
InChIKeyQFYMWTSBLWLUTL-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.07
Rot. Bonds1

About 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 2800014) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID2800014
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C2=CSC3=NCCCN23)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12/h2-3,6-7H,1,4-5H2
InChIKeyQFYMWTSBLWLUTL-UHFFFAOYSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 2800014) is 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is Fc1ccc(C2=CSC3=NCCCN23)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is QFYMWTSBLWLUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12/h2-3,6-7H,1,4-5H2.
What are the key properties of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 252.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 2800014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).